GENERAL INFO

Title: PF₆-_(SP)
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/54314
Program: Gaussian 16 AM64L-G16RevA.03
Author: Sharma, Akhilesh Kumar
Formula: F6P
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group OH NOp 48

JOB |

Energies

Energy Value Units
SCF Done: -941.053873618 Eh

Energy Value Units
HF -941.0538736 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 -0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-49.6128 -49.6128 -49.6128 -0.0000 -0.0000 0.0000

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